1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea

C20H17N5O — CID 58243302

IUPAC1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
SMILESCNC(=O)Nc1cn2nc(-c3ccc(-c4ccccc4)cc3)ccc2n1
InChIInChI=1S/C20H17N5O/c1-21-20(26)23-18-13-25-19(22-18)12-11-17(24-25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H2,21,23,26)
InChIKeyDRMQLUOYYURCPB-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.81
Rot. Bonds3

About 1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea

1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea (PubChem CID 58243302) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
PubChem CID58243302
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
SMILESCNC(=O)Nc1cn2nc(-c3ccc(-c4ccccc4)cc3)ccc2n1
InChIInChI=1S/C20H17N5O/c1-21-20(26)23-18-13-25-19(22-18)12-11-17(24-25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H2,21,23,26)
InChIKeyDRMQLUOYYURCPB-UHFFFAOYSA-N
XLogP3.81
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243292
1-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243153
1-[6-(5-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243277
1-(6-azidoimidazo[1,2-b]pyridazin-2-yl)-3-methylurea
CID 58243097
1-(dimethylamino)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243120
1-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-3-phenylurea
CID 90248400
1-(4-chlorophenyl)-3-[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]urea
CID 58243079
N-[6-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]imidazo[1,2-b]pyridazin-2-yl]acetamide
CID 118608298
N-methyl-3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]amino]benzamide
CID 58243304
3-[[2-(methylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]methoxy]benzoic acid
CID 58243204
1-[6-[3-(hydroxymethyl)anilino]imidazo[1,2-b]pyridazin-2-yl]-3-methylurea
CID 58243168
3-[[6-(3-methoxyphenyl)imidazo[1,2-b]pyridazin-2-yl]carbamoylamino]propanamide
CID 58243291

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
The IUPAC name of 1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea (CID 58243302) is 1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea.
What is the SMILES notation for 1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
The canonical SMILES for 1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea is CNC(=O)Nc1cn2nc(-c3ccc(-c4ccccc4)cc3)ccc2n1.
What is the InChIKey of 1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
The InChIKey is DRMQLUOYYURCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-21-20(26)23-18-13-25-19(22-18)12-11-17(24-25)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13H,1H3,(H2,21,23,26).
What are the key properties of 1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea?
1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea has a molecular weight of 343.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[6-(4-phenylphenyl)imidazo[1,2-b]pyridazin-2-yl]urea is sourced from PubChem (CID 58243302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).